2-phenyl-[1,3]oxazolo[5,4-b]pyridine

C12H8N2O — CID 11805638

IUPAC2-phenyl-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3cccnc3o2)cc1
InChIInChI=1S/C12H8N2O/c1-2-5-9(6-3-1)11-14-10-7-4-8-13-12(10)15-11/h1-8H
InChIKeyVCERSBIWGDRCGW-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.89
Rot. Bonds1

About 2-phenyl-[1,3]oxazolo[5,4-b]pyridine

2-phenyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 11805638) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-phenyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-phenyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID11805638
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-phenyl-[1,3]oxazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3cccnc3o2)cc1
InChIInChI=1S/C12H8N2O/c1-2-5-9(6-3-1)11-14-10-7-4-8-13-12(10)15-11/h1-8H
InChIKeyVCERSBIWGDRCGW-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-phenyl-[1,3]oxazolo[5,4-b]pyridine (CID 11805638) is 2-phenyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-phenyl-[1,3]oxazolo[5,4-b]pyridine is c1ccc(-c2nc3cccnc3o2)cc1.
What is the InChIKey of 2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is VCERSBIWGDRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-2-5-9(6-3-1)11-14-10-7-4-8-13-12(10)15-11/h1-8H.
What are the key properties of 2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
2-phenyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 196.21 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 11805638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).